Content for NMR-STAR saveframe, "chemical_shift_set_2"
save_chemical_shift_set_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2
_Assigned_chem_shift_list.Entry_ID 7061
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
. . 1 $sample_1 . 7061 2
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 2 1 1 SER H H 1 8.3700 . . . . . . . . . . . 7061 2
2 . 2 2 1 1 SER HA H 1 5.3500 . . . . . . . . . . . 7061 2
3 . 2 2 1 1 SER HB2 H 1 3.5100 . . . . . . . . . . . 7061 2
4 . 2 2 1 1 SER HB3 H 1 3.7000 . . . . . . . . . . . 7061 2
5 . 2 2 1 1 SER CA C 13 56.1200 . . . . . . . . . . . 7061 2
6 . 2 2 1 1 SER CB C 13 65.2200 . . . . . . . . . . . 7061 2
7 . 2 2 1 1 SER N N 15 122.9200 . . . . . . . . . . . 7061 2
8 . 2 2 2 2 TRP H H 1 9.0000 . . . . . . . . . . . 7061 2
9 . 2 2 2 2 TRP HA H 1 4.0000 . . . . . . . . . . . 7061 2
10 . 2 2 2 2 TRP HB2 H 1 3.2800 . . . . . . . . . . . 7061 2
11 . 2 2 2 2 TRP HB3 H 1 3.1800 . . . . . . . . . . . 7061 2
12 . 2 2 2 2 TRP HD1 H 1 7.2600 . . . . . . . . . . . 7061 2
13 . 2 2 2 2 TRP HE1 H 1 10.1200 . . . . . . . . . . . 7061 2
14 . 2 2 2 2 TRP HE3 H 1 7.1100 . . . . . . . . . . . 7061 2
15 . 2 2 2 2 TRP HZ2 H 1 7.4000 . . . . . . . . . . . 7061 2
16 . 2 2 2 2 TRP HZ3 H 1 7.5700 . . . . . . . . . . . 7061 2
17 . 2 2 2 2 TRP HH2 H 1 7.2200 . . . . . . . . . . . 7061 2
18 . 2 2 2 2 TRP CA C 13 56.8300 . . . . . . . . . . . 7061 2
19 . 2 2 2 2 TRP CB C 13 33.0800 . . . . . . . . . . . 7061 2
20 . 2 2 2 2 TRP CD1 C 13 126.5500 . . . . . . . . . . . 7061 2
21 . 2 2 2 2 TRP CE3 C 13 121.4200 . . . . . . . . . . . 7061 2
22 . 2 2 2 2 TRP CZ2 C 13 114.9100 . . . . . . . . . . . 7061 2
23 . 2 2 2 2 TRP CZ3 C 13 121.7600 . . . . . . . . . . . 7061 2
24 . 2 2 2 2 TRP CH2 C 13 124.6900 . . . . . . . . . . . 7061 2
25 . 2 2 2 2 TRP N N 15 122.3000 . . . . . . . . . . . 7061 2
26 . 2 2 2 2 TRP NE1 N 15 129.1200 . . . . . . . . . . . 7061 2
27 . 2 2 3 3 VAL H H 1 9.2600 . . . . . . . . . . . 7061 2
28 . 2 2 3 3 VAL HA H 1 3.8800 . . . . . . . . . . . 7061 2
29 . 2 2 3 3 VAL HB H 1 1.8700 . . . . . . . . . . . 7061 2
30 . 2 2 3 3 VAL HG11 H 1 0.7700 . . . . . . . . . . . 7061 2
31 . 2 2 3 3 VAL HG12 H 1 0.7700 . . . . . . . . . . . 7061 2
32 . 2 2 3 3 VAL HG13 H 1 0.7700 . . . . . . . . . . . 7061 2
33 . 2 2 3 3 VAL HG21 H 1 0.5200 . . . . . . . . . . . 7061 2
34 . 2 2 3 3 VAL HG22 H 1 0.5200 . . . . . . . . . . . 7061 2
35 . 2 2 3 3 VAL HG23 H 1 0.5200 . . . . . . . . . . . 7061 2
36 . 2 2 3 3 VAL CA C 13 58.1100 . . . . . . . . . . . 7061 2
37 . 2 2 3 3 VAL CB C 13 36.0500 . . . . . . . . . . . 7061 2
38 . 2 2 3 3 VAL CG1 C 13 17.8800 . . . . . . . . . . . 7061 2
39 . 2 2 3 3 VAL CG2 C 13 23.1500 . . . . . . . . . . . 7061 2
40 . 2 2 3 3 VAL N N 15 117.0800 . . . . . . . . . . . 7061 2
41 . 2 2 4 4 PTR H H 1 8.5800 . . . . . . . . . . . 7061 2
42 . 2 2 4 4 PTR HA H 1 5.1700 . . . . . . . . . . . 7061 2
43 . 2 2 4 4 PTR HB2 H 1 3.1200 . . . . . . . . . . . 7061 2
44 . 2 2 4 4 PTR HB3 H 1 2.7800 . . . . . . . . . . . 7061 2
45 . 2 2 4 4 PTR HD1 H 1 6.0900 . . . . . . . . . . . 7061 2
46 . 2 2 4 4 PTR HD2 H 1 6.0900 . . . . . . . . . . . 7061 2
47 . 2 2 4 4 PTR HE1 H 1 5.8600 . . . . . . . . . . . 7061 2
48 . 2 2 4 4 PTR HE2 H 1 5.8600 . . . . . . . . . . . 7061 2
49 . 2 2 4 4 PTR CA C 13 57.0400 . . . . . . . . . . . 7061 2
50 . 2 2 4 4 PTR CB C 13 40.4100 . . . . . . . . . . . 7061 2
51 . 2 2 4 4 PTR CD1 C 13 132.1600 . . . . . . . . . . . 7061 2
52 . 2 2 4 4 PTR CD2 C 13 132.1600 . . . . . . . . . . . 7061 2
53 . 2 2 4 4 PTR CE1 C 13 117.9100 . . . . . . . . . . . 7061 2
54 . 2 2 4 4 PTR CE2 C 13 117.9100 . . . . . . . . . . . 7061 2
55 . 2 2 4 4 PTR N N 15 123.4900 . . . . . . . . . . . 7061 2
56 . 2 2 5 5 SER H H 1 7.8600 . . . . . . . . . . . 7061 2
57 . 2 2 5 5 SER HA H 1 3.6000 . . . . . . . . . . . 7061 2
58 . 2 2 5 5 SER HB2 H 1 3.6000 . . . . . . . . . . . 7061 2
59 . 2 2 5 5 SER HB3 H 1 3.6000 . . . . . . . . . . . 7061 2
60 . 2 2 5 5 SER CA C 13 56.1200 . . . . . . . . . . . 7061 2
61 . 2 2 5 5 SER CB C 13 65.2200 . . . . . . . . . . . 7061 2
62 . 2 2 5 5 SER N N 15 122.9200 . . . . . . . . . . . 7061 2
63 . 2 2 6 6 PRO HA H 1 4.3500 . . . . . . . . . . . 7061 2
64 . 2 2 6 6 PRO HB2 H 1 1.8400 . . . . . . . . . . . 7061 2
65 . 2 2 6 6 PRO HB3 H 1 1.9500 . . . . . . . . . . . 7061 2
66 . 2 2 6 6 PRO HG2 H 1 2.2800 . . . . . . . . . . . 7061 2
67 . 2 2 6 6 PRO HG3 H 1 2.2800 . . . . . . . . . . . 7061 2
68 . 2 2 6 6 PRO HD2 H 1 3.5200 . . . . . . . . . . . 7061 2
69 . 2 2 6 6 PRO HD3 H 1 3.6300 . . . . . . . . . . . 7061 2
70 . 2 2 6 6 PRO CA C 13 65.1300 . . . . . . . . . . . 7061 2
71 . 2 2 6 6 PRO CB C 13 32.3200 . . . . . . . . . . . 7061 2
72 . 2 2 6 6 PRO CG C 13 27.8900 . . . . . . . . . . . 7061 2
73 . 2 2 6 6 PRO CD C 13 50.1000 . . . . . . . . . . . 7061 2
74 . 2 2 7 7 LEU H H 1 8.3100 . . . . . . . . . . . 7061 2
75 . 2 2 7 7 LEU HA H 1 4.1800 . . . . . . . . . . . 7061 2
76 . 2 2 7 7 LEU HB2 H 1 1.5300 . . . . . . . . . . . 7061 2
77 . 2 2 7 7 LEU HB3 H 1 1.4300 . . . . . . . . . . . 7061 2
78 . 2 2 7 7 LEU HG H 1 1.4300 . . . . . . . . . . . 7061 2
79 . 2 2 7 7 LEU HD11 H 1 0.8500 . . . . . . . . . . . 7061 2
80 . 2 2 7 7 LEU HD12 H 1 0.8500 . . . . . . . . . . . 7061 2
81 . 2 2 7 7 LEU HD13 H 1 0.8500 . . . . . . . . . . . 7061 2
82 . 2 2 7 7 LEU HD21 H 1 0.7900 . . . . . . . . . . . 7061 2
83 . 2 2 7 7 LEU HD22 H 1 0.7900 . . . . . . . . . . . 7061 2
84 . 2 2 7 7 LEU HD23 H 1 0.7900 . . . . . . . . . . . 7061 2
85 . 2 2 7 7 LEU CA C 13 57.9700 . . . . . . . . . . . 7061 2
86 . 2 2 7 7 LEU CB C 13 42.1400 . . . . . . . . . . . 7061 2
87 . 2 2 7 7 LEU CG C 13 26.6800 . . . . . . . . . . . 7061 2
88 . 2 2 7 7 LEU CD1 C 13 24.2100 . . . . . . . . . . . 7061 2
89 . 2 2 7 7 LEU CD2 C 13 21.6700 . . . . . . . . . . . 7061 2
90 . 2 2 7 7 LEU N N 15 121.3500 . . . . . . . . . . . 7061 2
91 . 2 2 8 8 HIS H H 1 8.2100 . . . . . . . . . . . 7061 2
92 . 2 2 8 8 HIS HA H 1 4.6100 . . . . . . . . . . . 7061 2
93 . 2 2 8 8 HIS HB2 H 1 3.0800 . . . . . . . . . . . 7061 2
94 . 2 2 8 8 HIS HB3 H 1 3.2000 . . . . . . . . . . . 7061 2
95 . 2 2 8 8 HIS HD2 H 1 7.4600 . . . . . . . . . . . 7061 2
96 . 2 2 8 8 HIS HE1 H 1 7.1200 . . . . . . . . . . . 7061 2
97 . 2 2 8 8 HIS CA C 13 55.2800 . . . . . . . . . . . 7061 2
98 . 2 2 8 8 HIS CB C 13 29.7200 . . . . . . . . . . . 7061 2
99 . 2 2 8 8 HIS CD2 C 13 119.1000 . . . . . . . . . . . 7061 2
100 . 2 2 8 8 HIS CE1 C 13 136.6900 . . . . . . . . . . . 7061 2
101 . 2 2 8 8 HIS N N 15 118.3000 . . . . . . . . . . . 7061 2
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